Acta Chimica Sinica ›› 1998, Vol. 56 ›› Issue (1): 9-12. Previous Articles     Next Articles

Original Articles

自由基-分子加成反应活性的量子化学研究

王贵昌;潘荫明;赵学庄   

  1. 南开大学化学系
  • 出版日期:1998-01-15 发布日期:1998-01-15

Study on the reactivity of radical-molecular addition reaction using quantum method

WANG GUICHANG;PAN YINMING;ZHAO XUEZHUANG   

  • Online:1998-01-15 Published:1998-01-15

In this paper, the reactivity of radical-molecular addition reaction was studied in terms of MNDO semi-empirical method and the generalized perturbation theory. It is found that a good relationship exists between the second perturbation energy and the activation energy. In addition, the factors affecting the reaction reactivity were also discussed.

Key words: ALKENE, FLUOROHYDROCARBON, ADDITION REACTION, ACTIVATION ENERGY, FREE RADICALS

CLC Number: